Information card for entry 4078168

Structure parameters

• Formula: C19 H32 Ge N2 O Se
• Calculated formula: C19 H32 Ge N2 O Se
• SMILES: [Ge]1(=[Se])([N](CC(C)C)=C2C=CC=CC=C2N1CC(C)C)OC(C)(C)C
• Title of publication: Germaester Complexes with a Ge(E)Ot-Bu Moiety (E = S or Se)
• Authors of publication: Siwatch, Rahul Kumar; Nagendran, Selvarajan
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3389
• a: 12.504 ± 0.007 Å
• b: 10.814 ± 0.006 Å
• c: 17.158 ± 0.01 Å
• α: 90°
• β: 104.104 ± 0.011°
• γ: 90°
• Cell volume: 2250 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No